Free Radical Scavenging Assay Research Articles

Synthesis, Molecular Docking, and Biological Evaluation of Novel Indole-triazole Conjugates.

Indole-triazole conjugates have emerged as promising candidates for new drug development. Their distinctive structural characteristics, coupled with a wide array of biological activities, render them a captivating and promising field of research for the creation of novel pharmaceutical agents. This study aimed to synthesize indole-triazole conjugates to investigate the influence of various substituents on the functional characteristics of indole-triazole hybrids. It also aimed to study the binding modes of new hybrids with the DNA Gyrase using molecular docking studies. A new set of indole-triazole hybrids was synthesized and characterized using various physicochemical and spectral analyses. All hybrids underwent in-silico pharmacokinetic prediction studies. The antimicrobial efficacy of the hybrids was assessed using tube dilution and agar diffusion methods. Additionally, the in-vitro antioxidant activity of synthesized compounds was determined using the 1,1-diphenyl-2-picryl-hydrazyl free radical scavenging assay. Furthermore, in silico molecular docking studies were performed to enhance our comprehension of how the synthesized compounds interact at the molecular level with DNA gyrase. Pharmacokinetic predictions of synthesized hybrids indicated favourable pharmacokinetic profiles, and none of the compounds violated the Lipinski rule of five. Notably, compound 6, featuring a cyclohexanol substituent, demonstrated superior antimicrobial and antioxidant activity (EC50 value = 14.23 μmol). Molecular docking studies further supported the in vitro antioxidant and antimicrobial findings, revealing that all compounds adeptly fit into the binding pocket of DNA Gyrase and engaged in interactions with crucial amino acid residues. In summary, our research underscores the efficacy of molecular hybridization in shaping the physicochemical, pharmacokinetic, and biological characteristics of novel indole-triazole derivatives.

Synergistic Action of Rutin-Coated Zinc Oxide Nanoparticles: Targeting Biofilm Formation Receptors of Dental Pathogens and Modulating Apoptosis Genes for Enhanced Oral Anticancer Activity.

Oral diseases are often associated with bacterial and fungal pathogens such as Staphylococcus aureus, Streptococcus mutans, Enterococcus faecalis, and Candida albicans. This research explored a novel approach to addressing these pathogens by synthesizing zinc oxide nanoparticles (ZnO NPs) coated with rutin (RT), a plant-derived compound. The synthesized ZnO-RT NPs were comprehensively characterized using UV-Vis spectrophotometer, SEM, and EDAX techniques to confirm their structural composition. The antioxidant potential was assessed through free radical scavenging assays. Additionally, the antimicrobial activity of ZnO-RT NPs was evaluated using a zone of inhibition assay against oral pathogens. Molecular docking studies with the Autodock tool were performed to elucidate the interactions between RT and the receptors of oral pathogens. The findings demonstrated that ZnO-RT NPs exhibited robust free radical scavenging activity. Furthermore, they showed significant antimicrobial activity with a minimal inhibitory concentration of 40 μg/mL against oral pathogens. ZnO-RT NPs also displayed dose-dependent anticancer effects on human oral cancer cells at concentrations of 10, 20, 40, and 80 μg/mL. Mechanistic insights into the anticancer activity on KB cells revealed the upregulation of apoptotic genes. This study underscores the promising potential of ZnO-RT NPs for dental applications due to their strong antioxidant, anticancer, and antimicrobial properties. These nanoparticles offer a hopeful prospect for addressing oral pathogen challenges and enhancing overall oral health.

Functional characterization of peroxiredoxin 5 from yellowtail clownfish (Amphiprion clarkii): immunological expression assessment, antioxidant activities, heavy metal detoxification, and nitrosative stress mitigation

Peroxiredoxin 5 (Prdx5) is the last recognized member of Prdx family. It is a unique, atypical, 2-Cys antioxidant enzyme, protecting cells from death caused by reactive oxygen species (ROS). In this study, the Prdx5 ortholog of Amphiprion clarkii (AcPrdx5) was identified and characterized to explore its specific structural features and functional properties. The open reading frame of AcPrdx5 is 573 bp long and encodes 190 amino acids containing a mitochondrial targeting sequence, thioredoxin domain, and two conserved cysteine residues responsible for antioxidant function. The predicted molecular weight and theoretical isoelectric point of AcPrdx5 are 20.3 kDa and 9.01, respectively. AcPrdx5 sequences were found to be highly conserved across the other orthologs from various organisms and it distinctively clustered within the fish Prdx5 subclade of the phylogenetic tree. The expression of AcPrdx5 was ubiquitously detected among twelve tested tissues, with the highest level in the brain. Furthermore, the mRNA levels of AcPrdx5 in the blood and head-kidney tissues were significantly (p < 0.05) upregulated following polyinosinic-polycytidylic acid (Poly I:C), lipopolysaccharide (LPS), and Vibrio harveyi immune challenge. A concentration-dependent antioxidant potential of recombinant AcPrdx5 was observed in insulin disulfide bond reduction, heavy metal detoxification, free radical and hydrogen peroxide (H2O2) scavenging assays. Additionally, AcPrdx5 overexpression in fathead minnow (FHM) cells upregulated the antioxidant-associated gene (Rrm1, MAPK, SOD2, and PRDX1) expression after H2O2 treatment, and promoted cell viability upon arsenic (As) exposure. In macrophages, AcPrdx5 overexpression effectively suppressed substantial nitric oxide production under lipopolysaccharide treatment. Collectively, our results suggest that AcPrdx5 may play roles in both antioxidant defense system and innate immune response against pathogenic invasions in A. clarkii.

Relationship between antioxidant activity and ESIPT process based on flavonoid derivatives: A comprehensive analysis

Antioxidant activity, as a topic of current interest, is discussed together with the excited state intramolecular proton transfer (ESIPT) process for three flavonoid derivatives, based on density functional theory (DFT)and time-dependent DFT (TD-DFT) methods, as well as DPPH free radical scavenging assay. The potential energy curves and transition states demonstrate that the three molecules can undergo only single proton transfer in the excited state, and all of them are ultrafast ESIPT processes. The absorption spectra of all the molecules show effective protection against UV radiation with low fluorescence intensity, especially Baicalein (Bai), which demonstrates their great potential for sunscreen applications. The density of states, HOMO energy values, global and local indices reveal that the antioxidant activity of the molecules after ESIPT process is enhanced, with Bai having the highest antioxidant activity, which is significantly attributed to the number and position of phenolic hydroxyl groups. Moreover, by comparing the DPPH free radical scavenging activity under the dark and UV radiation conditions, the radical scavenging activity (RSA) value in the UV radiation is remarkably higher than that in the dark condition, in which Bai achieves RSA value of 93.4%. Overall, the antioxidant activity of all three ESIPT-based flavonoid derivatives, especially Bai, is significantly elevated in the keto* form, which reinforces the significant relationship between antioxidant activity and ESIPT process, and provides new application prospects for molecules with ESIPT properties.

Antioxidant: Antimycobacterial and Antibiofilm Activities of Acetone Extract and Subfraction Artemisia afra Jacq. ex Willd. Against Mycobacterium smegmatis

Tuberculosis is a worldwide prevalent and recurring disease that contributes significantly to high mortality rates. This study aimed to investigate the antioxidant, anti-mycobacterial, and antibiofilm activities of Artemisia afra acetone crude extract. Methodology: The crude acetone extract was fractionated using column chromatography and characterized by liquid chromatography–mass spectroscopy (LC-MS). A 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay was used to assess the antioxidant activity. The antimycobacterial activity against Mycobacterium smegmatis was screened using bioautography, broth microdilution, and growth curve assays. Molecular docking was used to predict the possible mechanisms of action of the LC-MS-identified ligands. Crystal violet was used to screen for anti-cell adherence and biofilm inhibition activities. Results: The crude extract scavenged 77% of the free radical at 16 μg/mL. The subfraction had a lower minimum inhibitory concentration (MIC) (0.078 mg/mL) compared to the crude extract (0.313–0.833 mg/mL). The subfraction had a concentration-dependent inhibition effect (&gt;50%) on mycobacterial cell adherence and early biofilms. However, the mature biofilms were resistant. Two propanoate compounds, [(2S)-3-[6-acetyl-4,6-dihydroxy-3-[(1R)-1-hydroxyethyl]tetrahydropyran-2-yl]-2-hydroxy-propyl] (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate and 3-(6-aminopurin-9-yl)propyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl) propanoate, had binding energies of −5.4 kcal/mol and −6.3 kcal/mol, respectively, against the RNA polymerase binding protein. Conclusions: The results show that A. afra acetone crude extract has antioxidant and antimycobacterial activities that can be improved by fractionation.

Phytochemical characterization and valorization of Quercus ilex (west of Algeria)

&lt;p&gt;&lt;span style="font-family:&amp;quot;Times New Roman&amp;quot;,&amp;quot;serif&amp;quot;;font-size:12pt;line-height:115%;"&gt;&lt;strong&gt;ABSTRACT&lt;/strong&gt;&lt;/span&gt;&lt;/p&gt;&lt;p style="text-align:justify;"&gt;&lt;span style="font-family:&amp;quot;Times New Roman&amp;quot;,&amp;quot;serif&amp;quot;;font-size:12pt;line-height:115%;" lang="EN-US"&gt;This project is part of the promotion of natural resources such as Non-Timber Forest Products (NTFP). In order to assess the economic value of NTFP, this research focuses on the phytochemical analysis of holm oak (&lt;/span&gt;&lt;em&gt;&lt;span style="font-family:&amp;quot;Times New Roman&amp;quot;,&amp;quot;serif&amp;quot;;font-size:12pt;line-height:115%;" lang="EN-US"&gt;Quercus ilex &lt;/span&gt;&lt;/em&gt;&lt;span style="font-family:&amp;quot;Times New Roman&amp;quot;,&amp;quot;serif&amp;quot;;font-size:12pt;line-height:115%;" lang="EN-US"&gt;L.) from the Terni region (Western Algeria). It focused on bioactive substances, particularly polyphenols. The method used consists of extracting the phenolic compounds by two methods which are maceration and ultrasound from the leaves and bark of this species. The quantity of these compounds is assessed spectrometrically and the antioxidant activity of the extracts in vitro using free radical scavenging and total antioxidant capacity assays. The results obtained indicate that maceration offers the best yield for extracting phenolic compounds from the leaves, with a yield of 10.74%. These results also showed that the extracts of holm oak leaves and bark are rich in phenolic compounds and have a content of total phenols (103,014±1,393 and 813.462±1.675 mg EAG/g DM), flavonoids (87.078±6.220 and 949.936±36.394 mg EC/g DM) and condensed tannins (57.194±12.447 and 940.195±20.417 mg EC/g DM). Regarding the antioxidant power, it is evident that all extracts have significant antioxidant capacity, and all have high free radical scavenging activity. The highest inhibition percents are 84.98±7.45% for the leaf extract and 83.15±9.27% for the bark extract. According to these results, holm oak contains a large quantity of polyphenols and antioxidant molecules. This information represents a natural source of antioxidants which remains to be exploited for future use in the agri-food and health sectors, within the broader framework of promoting the biodiversity of Algerian plants (NTFP).&lt;/span&gt;&lt;/p&gt;

The assessment of antioxidant potential of Olea europaea and Ocimum basilicum and their comparative and combine study

Many chronic diseases, such as cancer and diabetes, are connected to the negative consequences of reactive oxygen species (ROS). Ocimum basilicum or basil is a plant that is high in eugenol and vitamin K and is recognized for its antioxidant qualities. Research has indicated that basil possesses strong anticancer properties, impacting multiple biological processes like autophagy, cell cycle regulation, inflammation management, apoptosis, and metastasis suppression. Analogously, Olea europaea (olive) is acknowledged for its hypotensive, anti-inflammatory, and antioxidant characteristics. Because of their anticancer properties, the polyphenols included in olive leaves have demonstrated therapeutic efficacy against specific forms of cancer. At doses of 100, 500, and 1000 µg/mL, respectively, the Olea europaea extract demonstrated dose-dependent antioxidant activity with scavenging rates of 45%, 66%, and 83%. At the same concentrations, the Ocimum basilicum methanolic extract demonstrated antioxidant action as well, with scavenging rates of 11%, 43%, and 49%. Notably, both plants’ methanolic extracts showed increased antioxidant activity when combined. At doses of 100, 500, and 1000 µg/mL, the combined extracts demonstrated scavenging activities of 42%, 49%, and 71% using the DPPH free radical scavenging assay. This study's main goal is to assess the combined antioxidant capacity of methanolic extracts made from the leaves of Ocimum basilicum and Olea europaea. The results indicate that Ocimum basilicum and Olea europaea combination therapy considerably suppresses DPPH free radicals. With potential therapeutic effects, this combined therapy may be instrumental in scavenging free radicals that lead to the development of cancer.

Potential Antioxidant Compounds from the Spores of Dicranopteris linearis and the Branches of Averrhoa bilimbi

This study focused on bio-guided isolation based on antioxidant activities from Dicranopteris linearis spores and Averrhoa bilimbi branches. The total phenolic content (TPC), total flavonoid content (TFC), and antioxidant activities of the extracts were determined. For D. linearis spores, the ethyl acetate (EA) extract exhibited the highest TPC (120.13 ± 0.04 mg GAE/g) and TFC (21.94 ± 0.30 mg QE/g), along with strong DPPH antioxidant activity (96.3 ± 0.3% inhibition, IC50 of 39.4 ± 0.3 µg/mL). For A. bilimbi branches, the n-hexane–ethyl acetate (HEA) extract showed the highest TPC (165.21 ± 0.24 mg GAE/g) and TFC (26.20 ± 0.01 mg QE/g), with significant DPPH antioxidant activity (89.6 ± 0.7% inhibition, IC50 of 39.7 ± 1.9 µg/mL). Phytochemical investigation led to the identification of ten compounds (D1–D10) from D. linearis spores and twelve compounds (A1–A12) from A. bilimbi branches. Notably, compound A1 was identified as a new natural compound. The chemical structures were elucidated through NMR spectroscopy and comparison with existing literature. The antioxidant activities of selected compounds (D3–D5, D8–D10, and A1–A11) were evaluated using DPPH and ABTS free radical scavenging assays. Among them, compound A3 exhibited the strongest antioxidant activities (IC50 of 7.1 ± 0.1 µg/mL for DPPH and 14.8 ± 0.1 for ABTS, respectively). The results of this study highlight the potential of D. linearis and A. bilimbi for use in natural product-based antioxidant applications.

Characteristics of Polysaccharides from Industrial Hemp (Cannabis sativa L.) Kernels.

Polysaccharides from hemp seeds exhibit antioxidant activities in vitro and in vivo. However, crude polysaccharide quality is often low owing to the presence of fibres and pigment impurities, which are difficult to eliminate in the hemp seed shell. In this study, crude polysaccharides from hemp kernels (HKP) were obtained by hot water extraction and separated by membrane ultrafiltration into eight fractions with different molecular weights. Total antioxidant capacity and free radical scavenging (DPPH) assays were performed to evaluate the antioxidant activities of HKP and the fractions in vitro. The structural characteristics of HKP were determined using various analytical techniques. The Fe3+-reducing power of HKP was 7.65 ± 0.22 μmol/g, and HKP possessed the highest DPPH radical-scavenging rates (94.30 ± 2.27%), similar to 5 mg/mL Vitamin C (Vc), which had a rate of 95%. The HKP was an acidic polysaccharide with a low molecular weight (4.21 ± 0.12 kDa). The monosaccharide composition indicated that HKP primarily comprised mannose, ribose, glucuronic acid, galacturonic acid, glucose, galactose, arabinose, and fucose in a molar ratio of 0.96:1.95:8.27:0.98:9.46:1.69:6.10:2.82. The molar mass of HKP was distributed widely in a triple helical conformation. This study provides a scientific basis for further research on the use of hemp polysaccharides.

Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations

The use of herbal extracts has gained significant importance in modern health practices, making it essential to explore their properties and applications in detail. This study investigates the effect of ultrasound on the extraction yield of Convolvulus arvensis leaves, with a focus on its chemical composition, antioxidant properties, cytotoxicity, antimicrobial activities, and mechanism of action. Antimicrobial activity was determined using minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), well diffusion agar, and disk diffusion agar assays. The antioxidant properties were assessed through ferric reducing antioxidant power (FRAP) and DPPH free radical scavenging assays. High Performance Liquid Chromatography (HPLC) and Fourier transform infrared (FTIR) spectroscopy were utilized to identify the chemical composition and functional groups present in the extract. The findings revealed that ultrasound-assisted extraction exhibited significantly higher extraction efficiency (p < 0.05). The extract displayed significant antimicrobial activity against Listeria innocua, Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus. The total phenolic and total flavonoid contents of the extract were measured at 328.85 ± 0.046 (mg GAE/100 g) and 226.23 ± 0.043 (mg QE/100 g), respectively. Moreover, the extract demonstrated notable radical scavenging activity against DPPH, with a value of 37.40 ± 0.111 (g/100 g). The FRAP assay revealed that the antioxidant activity of C. arvensis extract was quantified at 23.796 ± 0.045 μmol Fe²⁺. The highest amount of phenolic and alkaloid compounds in the extract was related to β-Phellandrene (341.52 µg/mL) and Swainsonine (360.24 µg/mL), respectively. Furthermore, the in vitro cytotoxic activity of the extract was evaluated against the Caco-2 cell line, with the IC50 value determined to be 26.55 mg/mL. The results of the docking study demonstrated that Ferulic acid displayed a significant binding energy of −6.2 kcal/mol, suggesting a robust interaction with the target enzyme and the potential to act as a modulator of glutathione peroxidases. The findings of the present study revealed that the alcoholic extract of C. arvensis possesses proper antioxidant and antimicrobial activities. Therefore, it has been used as a food preservative. However, further medical and clinical researches are required before any application in human health.

Synthesis, Antimicrobial and Antioxidant Activity with in silico ADMET Prediction, Molecular Docking and Dynamics Studies of Carbazole Ring Containing Thiazole Schiff Bases

AbstractTwelve thiazole hybrids (2 a–2 l) were synthesized in this study incorporating with Schiff base and carbazole scaffolds and characterized by spectral analyses. Antimicrobial activity and antioxidant potency were investigated by agar disc diffusion method and DPPH free radical scavenging assays where trimethyldihydrothiazole 2 c had revealed its higher efficacy in both biological studies. It had displayed IC50 of 25.55±0.40 μg/mL which is higher than the standard ascorbic acid (IC50=41.31±1.83 μg/mL) as well as dihydrothiazoylchromenone 2 e showed promising antioxidant activity with IC50 value of 40.82±0.54. The compound 2 c satisfied all the ADME properties and toxicological parameters with maximum drug score value (0.39) among all derivatives. Molecular docking was undertaken for higher bioactive compounds where 2 c revealed its wide range of interactions with different amino acid residues which was also endorsed with the output of molecular dynamics simulation.

Evaluating the Antioxidant Capacity, Phenolic Contents, and Anticancer Potential of Caralluma europaea Extracts

Background: Caralluma europaea (C. europaea) is a genus of shrubs in the Apocynaceae family, endemic to the Mediterranean region. Assessing the anticancer properties, total phenolic and flavonoid content, and antioxidant activity of different C. europaea extracts were the aim of this study.Methods: To determine antioxidant activity, we used three free radical scavenging assays: DPPH (2,2-Diphenyl-1-picrylhydrazyl), hydrogen peroxide (H2O2), and nitric oxide (NO) assays. Total phenolic and flavonoid contents were measured using colorimetric methods. The anti-important activity was evaluated by MTT assay.Results: Our findings showed that the efficacy of the extract in MCF7 cells decreased in the system containing chloroform, methanol, ethyl acetate, and water. The strength of the extract for U87 cells decreased according to methanolic, chloroform and water, where ethyl acetate was the strongest. The highest total phenolic and flavonoid content was found in methanol extract. All extracts showed a high scavenging activity of DPPH. Methanol extract showed the highest antioxidant activity in the NO assay of the solution, followed by ethyl acetate, chloroform, and aqueous extract. In the H2O2-based antioxidant activity assay, the methanol extract again showed the highest activity, followed by ethyl acetate, chloroform, and aqueous extracts.Conclusions: Extracts of C. europaea have shown great potential as natural antioxidants and anticancer agents in this study, suggesting that they deserve further investigation into the food and pharmaceutical fields.Keywords: Phenolic content; Flavonoid content; Antioxidant activity; Anti-cancer activity

Anti-fatigue effect of an enzymatically derived deer velvet extract through muscle damage recovery and improvement of antioxidant levels

Ethnopharmacological relevanceDeer velvet (DV) has been extensively used in traditional Oriental medicine to treat various diseases. Its pharmacological spectrum encompasses tonicity, longitudinal bone growth of adolescence, blood retention, hemopoiesis facilitation, enhancement of organ function, physical function improvement, and augmentation of physical vitality. Among its myriad effects, DV notably exhibits anti-fatigue properties; however, its specific mode of action is yet to be fully elucidated. Aim of the studyThis study was undertaken to investigate the anti-fatigue and exercise performance-enhancing effects of YC-1101(HENKIV®), an enzymatically derived DV extract, in C2C12 cell lines and forced swimming mouse models. Materials and methodsThe effect of YC-1101 on increasing cell growth and lowering lactate dehydrogenase (LDH) activity was assessed in C2C12. The antioxidative effects of YC-1101 and its mechanistic underpinnings were also evaluated in C2C12 cells. Moreover, mice were subjected to an exhaustive swimming test subsequent to 3 weeks of YC-1101 extract administration. Fatigue-associated biochemical parameters, such as LDH activity and lactate, superoxide dismutase, glutathione peroxidase, and malondialdehyde levels, were measured in serum and muscle tissues. ResultsYC-1101 significantly promoted myoblast growth and reduced LDH activity, indicative of a cell-proliferative effect. Notably, free radical scavenging assays and analysis of reactive oxygen species production and antioxidant-related mRNA expression corroborated the significant involvement of YC-1101 in antioxidation, an important mechanism in anti-fatigue processes. Furthermore, animal experiments demonstrated prolonged swimming endurance and inhibition of muscle LDH accumulation in forced swimming mouse models. Serum biochemical analysis further revealed significant modulation of the expression of anti-fatigue-related biomarkers. Various bioactive low-molecular-weight DV peptides were enriched in YC-1101 compared to YHC-BE-2038 (a DV extract without enzymatic digestion). The anti-fatigue effect of YC-1101 was significantly stronger than that of YHC-BE-2038. ConclusionsThese findings suggest the potential of YC-1101 as a nutraceutical adjunct in ameliorating fatigue, concurrently facilitating muscle damage recovery, and exerting antioxidant effects via the nuclear factor E2-related factor 2-Kelch-like ECH-associated protein-1 pathway. It can be assumed that the complex action of low-molecular-weight DV peptides produced during the enzymatic degradation process was effective, and the further research is needed.

Anti-Oxidant and Anti-Cancerous Properties of Pyrus pashia (Buch. -Ham.Ex D.Don) Against KB-3-1 Cancer Cell Lines In Vitro

Background: Oral cancer is the fastest-growing cancer in men. Many medicinal approaches are tried step-wise for cancers. Homeopathy and Ayurveda are contributing much to cure cancers without side effects. Plants having antioxidant properties are now being utilized with different solvents to extract different chemical compounds to cure cancer. Objective: The current study aimed to examine the anti-cancer and antioxidant properties of acetone extract of Pyrus pashia (PP-AE) fruit against KB-3-1 cancer cell lines. Materials and Methods: The extract's total phenolic content was determined using a folin-ciocalteu reagent. The DPPH, ABTS, and H2O2 assay were used to measure the free radical scavenging activity of the PP-AE. The MTT assay was used to evaluate the cytotoxic efficacy of the PP-AE against KB-3-1 cancer cell lines at various concentrations. Results: Based on the observations, the total phenolic content was present in the PP-AE of fruit and all free radical scavenging assays have shown remarkable IC50 values. Conclusion: According to the current study, acetone extract of Pyrus pashia fruit significantly possesses antioxidant and anti-cancer properties against oral (KB-3-1) cancer cell lines. This effect may be used in the future to analyze particular chemical compounds in extract, capable of minimizing the growth of oral cancer cells.

Hydrazide-hydrazones as novel antioxidants - in vitro, molecular docking and DFT studies

The pathogenesis of many diseases, such as obesity, depression, cancer, cataract, and neurodegenerative diseases, is related to the generation of reactive oxygen species (ROS). Structures possessing radical-scavenging properties act as antioxidants and they could prevent the progression of the aforementioned diseases. Therefore, the current work was focused on the resynthesis and the antioxidant evaluation of 13 hydrazide-hydrazones. Two in vitro tests - DPPH and ABTS, were applied for the determination of the antioxidant capacities. The free-radical scavenging assays displayed that the hydrazide-hydrazone synthesized after condensation with a salicylaldehyde (5b) is the most potent antioxidant. The in vitro evaluation through the ABTS test showed that the former structure has greater antioxidant properties compared with the used standard - Trolox (6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid). In concentrations of 31 µM, the pyrrole-based structure showed 35.77% radical-scavenging effects. A possible binding conformation of the most active hydrazide-hydrazone in the active site of NADPH oxidase was visualised through docking simulations. The active amino acids involved in the stabilisation of the complexes were discussed. DFT studies demonstrated that 5b is a stable structure with good hydrogen and electron donating properties. Overall, the pyrrole-based hydrazide-hydrazone possesses promising antioxidant properties, however further in vitro/in vivo biological evaluations are required.

Comprehensive Evaluation of Quality and Differences in Silene viscidula Franch from Different Origins Based on UPLC-ZENO-Q-TOF-MS/MS Compounds Analysis and Antioxidant Capacity.

Silene viscidula Franch is mainly produced in southwest China. The region has a vast area and rich climate, which has an impact on the quality of the plants due to the differences in distribution between the origins. There is a lack of systematic research on its chemical compounds in the existing literature, and fewer studies have been reported for the active compounds of this plant. Therefore, high-resolution liquid mass spectrometry was used in this study. Sixty batches of Silene viscidula Franch samples from twenty origins in three provinces were analyzed for compounds. A database of chemical compounds of Silene viscidula Franch was established through node-to-node information in the GNPS molecular network, as well as literature records. The ion fragmentation information obtained was compared with the literature data and analyzed and identified by importing the mass spectrometry software PeakView 1.2. Then, the MarkerView t-test was applied to analyze and identify the compounds of Silene viscidula Franch from different origins. Afterwards, the antioxidant activity of Silene viscidula Franch from different origins was preliminarily evaluated using DPPH and ABTS free radical scavenging assays. The results showed a total of 78 compounds, including 34 steroids, 14 triterpenoid saponins, 30 flavonoid glycosides, and other classes of compounds, such as alkaloids. The cleavage patterns of steroids, triterpenoid saponins, and flavonoids in positive-ion mode were also summarized. Based on the p-value of the t-test (p < 0.05), 29 differential compounds were screened out. The relative contents of saponins and steroidal compounds in these samples were found to be associated with antioxidant activity. This study provided a preliminary reference for the establishment of a comprehensive evaluation system for the quality of Silene viscidula Franch.

Phytochemical Analysis and In Vitro Evaluation of Antidiabetic Potential of Banana Bract Lehya

Banana Bract Lehya, a traditional Ayurvedic formulation, has gained recognition for its potential therapeutic applications. This study aimed to prepare and evaluate the physicochemical properties and biological activities of Banana Bract Lehya. The lehya was prepared using banana bract powder (Musa paradisiaca), jaggery, tamarind, and a blend of spices including cumin, ajwain, ginger, fennel, and black pepper. Phytochemical screening revealed the presence of various bioactive compounds, with high concentrations of flavonoids and phenolic compounds, and moderate levels of tannins and terpenoids. Physicochemical analysis showed a pH of 6.20, loss on drying of 70%, total ash content of 3.2%, and total solid content of 96%. Organoleptic evaluation indicated a light brown and black color, pungent and spicy taste, and jelly-like texture. The total phenolic content was 78.5 ± 3.2 mg GAE/g, while the total flavonoid content was 42.3 ± 2.1 mg QE/g. Antioxidant activity, assessed by DPPH free radical scavenging assay, showed an IC50 value of 127.6 ± 5.4 μg/mL, compared to ascorbic acid's 23.8 ± 1.2 μg/mL. Glucose adsorption capacity increased with rising glucose concentration, suggesting potential anti-diabetic effects. The lehya exhibited concentration-dependent inhibition of α-amylase and α-glucosidase enzymes, with IC50 values of 156.3 ± 7.2 μg/mL and 143.7 ± 6.5 μg/mL, respectively, compared to acarbose's 83.2 ± 3.8 μg/mL and 95.6 ± 4.1 μg/mL. These findings provide valuable insights into the composition, physicochemical properties, and potential health benefits of Banana Bract Lehya.

Evaluation of Phytochemical Composition and Antifungal Potential of Millingtonia hortensis Leaf Extract

Millingtonia hortensis, commonly known as the Indian cork tree, has been traditionally used in Southern Asian medicine for various therapeutic purposes. This study aimed to investigate the antifungal properties of M. hortensis leaf extract and evaluate its potential as a natural alternative to synthetic antifungal agents. Leaf samples were collected, authenticated, and subjected to aqueous and methanolic extraction. Phytochemical screening revealed the presence of alkaloids, flavonoids, cardiac glycosides, terpenoids, tannins, phenolic compounds, and proteins. The antioxidant activity of the extracts was assessed using the DPPH free radical scavenging assay, while the antifungal potential was evaluated through the agar-well diffusion method against selected fungal strains. The aqueous extract yielded 4.4% w/w, while the methanolic extract yielded 2.9% w/w. Both extracts demonstrated significant antioxidant activity, with the methanolic extract showing slightly higher potency. The antifungal assay revealed dose-dependent inhibition of fungal growth, with the highest concentration (300 μg/ml) exhibiting the maximum zone of inhibition. Ketoconazole served as a positive control, while 10% DMSO was used as a negative control. The results suggest that M. hortensis leaf extract possesses promising antifungal properties, likely attributed to its rich phytochemical composition. This study provides a foundation for further research into the development of novel, plant-based antifungal therapies and highlights the potential of M. hortensis as a source of bioactive compounds for pharmaceutical applications

FTIR, 1H-/13C-NMR spectral characterization, antimicrobial, anticancer, antioxidant, anti-inflammatory, PASS, SAR, and in silico properties of methyl α-D-glucopyranoside derivatives

A novel series of biologically active derivatives based on methyl α-D-glucopyranoside (MGP) has been developed, comprising 6-O-monosubstituted MGP derivatives obtained from methyl α-D-glucopyranoside. These derivatives were transformed into 2,3,4-tri-O-acyl MGP derivatives, incorporating diverse functionalities within a single molecular framework, aimed at producing new products for antimicrobial studies. All synthesized compounds were identified through spectral analyses (FTIR, 1H-NMR, and 13C-NMR) and elemental analysis. Antimicrobial in vitro testing revealed that these MGP derivatives have notable efficacy against various pathogenic microorganisms, along with the prediction of activity spectra for substances (PASS). Compounds 2 and 7 exhibited the highest inhibitory activity against Bacillus subtilis and Escherichia coli, with minimum inhibitory concentration (MIC) values ranging from 0.25 to 64.0 µg/mL and minimum bactericidal concentration (MBC) values ranging from 8.0 to 128.0 µg/mL. Moreover, these compounds demonstrated significant antioxidant properties compared with those of standard antioxidants according to the results of the DPPH free radical scavenging assay. An evaluation of the growth and proliferation of Ehrlich ascites carcinoma (EAC) cells revealed moderate cell growth inhibition by compounds 5 and 6, with IC50 values of 5958.54 and 5437.17 µg/mL, respectively, as determined via an MTT colorimetric assay. An analysis of the structure-activity relationship (SAR) revealed that the combination of the (p-CH3.C6H4CO-) and halo-aromatic [3-Cl.C6H4CO-] chains with sugar had the highest efficiency in pathogens. Molecular docking studies using AutoDock Vina highlighted compound 7 as a promising inhibitor of the carbapenemase, OmpF, and HmoB proteins, with binding energies of -11.53 kcal/mol, -2.26 kcal/mol, and -30.75 kcal/mol, respectively. A 100-ns molecular dynamics simulation study demonstrated the validity of stable conformation and binding patterns in a stimulating environment. Pharmacokinetic characterization and ADMET predictions indicated favorable drug-like properties. These substantial in vitro and in silico studies demonstrate the importance of additional investigations to confirm the efficacy of MGP derivatives as antimicrobial agents.

Lignan-rich extract from Cinnamomum camphora leaf attenuates metabolic syndrome by modulating glycolipid metabolism and gut microbiota in T2DM mice

BackgroundType 2 diabetes mellitus (T2DM) is a serious metabolic syndrome with high mortality and disability rates globally, which usually caused by unhealthy dietary patterns. Cinnamomum camphora leaf is a traditional Chinese medicinal herb used for attenuating hyperglycemia and digestive disorder, and high level of lignans has been found in C. camphora leaf. PurposeThis study aimed to examine the chemical composition of lignans extracted from C. camphora leaf (LCCL), and illustrate its therapeutic effect and mechanism on T2DM and its concomitant glycolipid metabolic disorder. MethodsThe components of LCCL were separated and purified by silica gel and macroporous adsorption resin, and were distinguished through LC/MS and NMR. The antioxidant activity of LCCL was determined by free radical scavenging assay in vitro; the hypoglycemic and hypolipidemic abilities were evaluated by α-glucosidase, α-amylase and pancreatic lipase inhibition trials, respectively. T2DM model mice were established by high-sugar and high-fat (HSHF) feed together with streptozotocin (STZ) infection, and then grouped to assess the effect of LCCL treatment. Hematoxylin-eosin (H&E), Periodic Acid-Schiff (PAS) and oil red O staining were employed to analyze the histopathology. qRT-PCR assay, 16S rRNA analysis, and western blot were conducted to illuminate the anti-diabetic mechanism of LCCL. Results6 sesamin lignans were identifed from LCCL. The in vitro assays showed strong inhibitive abilities of LCCL with low IC50 on DPPH (33.68 ± 0.54 μg/ml),O2− (39.25 ± 0.61 μg/ml), OH• (45.72 ± 0.72 μg/ml), α-glucosidase (0.82 ± 0.14 mg/ml), α-amylase (0.86 ± 0.11 mg/ml) and pancreatic lipase (0.91 ± 0.12 mg/ml). LCCL treatment (100, 200 and 400 g kg-1mg kg-1) gradually decreased the fasting blood glucose (FBG) and fasting insulin (FINS), improved the glucose and insulin tolerance, down-regulated the homeostasis model assessment insulin resistance (HOMA-IR) indexes, alleviated the hepatic inflammatory response and oxidative stress, promoted the glycogen storage and depleted the fat accumulation in the liver. Besides, LCCL administration alleviated the glycolipid metabolism disorder in T2DM mice with a gut microbiota dependent manner, that significantly increased biodiversity, altered the composition of gut microbiota and increased the proportion of Lactobacillus. ConclusionThe lignan-rich extract of C. camphor leaf (LCCL), containing at least 6 lignans compounds, displayed promising antioxidant, hypoglycemic and hypolipidemic activities. The treatment of LCCL alleviated the glycolipid metabolism disorder in T2DM mice with a gut microbiota dependent manner. These finding suggested that LCCL should be further investigated to develop its complementary therapeutic effect on T2DM.